Geometry & MOs

Info

ID:	301900
PubChem CID:	123099678
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	269.088578
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	7.93
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluoroethylsulfinyl)ethanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CS(=O)CCCOC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations